Geometry & MOs

Info

ID:

340060

PubChem CID:

127262069

Reduced:

O3N4C10H18 (2)

Stoich.:

A3B4C10D18 (2)

Weight, g/mol:

504.280866

ΔHf, kcal/mol:

-278.8

Dipole, Da:

6.72

IP(EA), eV:

 -9.48(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(2S,3S)-2-amino-3-methylpentanoyl]-N-(4-nitrophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)CN)C(=O)NCC(=O)N(CCCCC(=O)O)[C@@H](CCCN=C(N)N)C(=O)N

DOS

IR

Vibrations